RefChem:350081
TL;DR: RefChem:350081 (CAS 64047-65-0) is a chemical compound with molecular formula C17H30Br2N2 and molecular weight 420.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-(2-ethyl-3,4-dihydro-1H-isoquinolin-2-ium-2-yl)propyl-trimethylazanium dibromide
Also Known As: IN 292, Ammonium, (3-(2-ethyl-1,2,3,4-tetrahydroisoquinolinio)propyl)trimethyl-, dibromide, Isoquinolinium, 1,2,3,4-tetrahydro-2-ethyl-2-(3-(trimethylammonio)propyl)-, dibromide, 3-(2-Ethyl-3,4-dihydro-1H-isoquinolin-2-ium-2-yl)propyl-trimethylazaniumdibromide, 2-Ethyl-2-[3-(trimethylazaniumyl)propyl]-1,2,3,4-tetrahydroisoquinolin-2-ium dibromide
| Molecular Formula | C17H30Br2N2 |
|---|---|
| Molecular Weight | 420.08 g/mol |
| LogP | -3.32 |
| Topological Polar Surface Area | 0.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 5 |
| Exact Mass | 422.07553 |
| Heavy Atoms | 21 |
| Complexity | 281.0 |
Chemical Identifiers
| CAS Number | 64047-65-0 |
|---|---|
| SMILES | CC[N+]1(CCC2=CC=CC=C2C1)CCC[N+](C)(C)C.[Br-].[Br-] |
| InChIKey | LILHXRHKCXDQGU-UHFFFAOYSA-L |
Product Overview
RefChem:350081 (CAS 64047-65-0), with molecular formula C17H30Br2N2 and molecular weight 420.08 g/mol. IUPAC: 3-(2-ethyl-3,4-dihydro-1H-isoquinolin-2-ium-2-yl)propyl-trimethylazanium dibromide.
Chemical Property Profile of RefChem:350081
Property Insights of RefChem:350081
The XLogP value of -3.32 indicates that RefChem:350081 is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. With a topological polar surface area (TPSA) of 0.0 Ų, RefChem:350081 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, RefChem:350081 has 0 hydrogen bond donor(s) and 2 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of RefChem:350081?
The CAS number of RefChem:350081 is 64047-65-0.
What is the molecular formula of RefChem:350081?
The molecular formula of RefChem:350081 is C17H30Br2N2.
What is the molecular weight of RefChem:350081?
The molecular weight of RefChem:350081 is 420.08 g/mol.
Where can I buy RefChem:350081?
You can request a quote for RefChem:350081 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:350081?
Yes, KEHONG BIO provides custom synthesis services for RefChem:350081 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.